1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine

C16H17N — CID 86745477

IUPAC1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine
SMILESC1=CC2=CC3=CC2(C=C1)C=C3N1CCCCC1
InChIInChI=1S/C16H17N/c1-4-8-17(9-5-1)15-12-16-7-3-2-6-14(16)10-13(15)11-16/h2-3,6-7,10-12H,1,4-5,8-9H2
InChIKeyFJHTTWUACOFOLH-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.35
Rot. Bonds1

About 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine

1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine (PubChem CID 86745477) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine.

Molecular Properties

Compound Name1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine
PubChem CID86745477
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine
SMILESC1=CC2=CC3=CC2(C=C1)C=C3N1CCCCC1
InChIInChI=1S/C16H17N/c1-4-8-17(9-5-1)15-12-16-7-3-2-6-14(16)10-13(15)11-16/h2-3,6-7,10-12H,1,4-5,8-9H2
InChIKeyFJHTTWUACOFOLH-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine?
The IUPAC name of 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine (CID 86745477) is 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine.
What is the SMILES notation for 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine?
The canonical SMILES for 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine is C1=CC2=CC3=CC2(C=C1)C=C3N1CCCCC1.
What is the InChIKey of 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine?
The InChIKey is FJHTTWUACOFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-4-8-17(9-5-1)15-12-16-7-3-2-6-14(16)10-13(15)11-16/h2-3,6-7,10-12H,1,4-5,8-9H2.
What are the key properties of 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine?
1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine has a molecular weight of 223.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperidine is sourced from PubChem (CID 86745477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).